![C41H39NO6 Asid 1-pirolidinkarboksilik, 2-[[bis(4-metoksifenil)fenilmetoksi]metil]-4-idroksi-, 9H-fluoren-9-ilmetil estè, (2S,4R)- (9 CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H39NO6 Asid 1-pirolidinkarboksilik, 2-[[bis(4-metoksifenil)fenilmètoksi]metil]-4-idroksi-, 9H-fluoren-9-ilmetil estè, (2S,4R)- (9 CI, ACI) Imaj Anons Spesyal](https://cdn.globalso.com/nvchem/C41H39NO6-1-Pyrrolidinecarboxylic-acid.jpg)
C41H39NO6 Asid 1-pirolidinkarboksilik, 2-[[bis(4-metoksifenil)fenilmetoksi]metil]-4-idroksi-, 9H-fluoren-9-ilmetil estè, (2S,4R)- (9 CI, ACI)
| Pwopriyete fizik kle yo | Valè | Kondisyon |
| Pwa molekilè | 641.75 | - |
| Pwen Ebulisyon (Prevwa) | 768.7±60.0 °C | Près: 760 Torr |
| Dansite (Prevwa) | 1.237±0.06 g/cm3 | Tanperati: 20 °C; Près: 760 Torr |
| pKa (Predi) | 14.50±0.40 | Tanperati ki pi asid: 25 °C |
SOURI Kanonik O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC=C(OC)C=C7
SMILES izomerik C(OC[C@H]1N(C(OCC2C=3C(C=4C2=CC=CC4)=CC=CC3)=O)C[C@H](O)C1)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
InChI
InChI=1S/C41H39NO6/c1-45-33-20-16-29(17-21-33)41(28-10-4-3-5- 11-28,30-18-22-34(46-2)23-19-30)48-26-31-24-32(43)25-42(31)40( 44)47-27-39-37-14-8-6-12-35(37)36-13-7-9-15-38(36)39/h3-23,31-32,39,43H,24-27H2,1-2H3/t31-,32+/m
Kle InChI
QPXSKGJQEBDWES-AJQTZOPKSA-N
2 Lòt Non pou Sibstans sa a
Asid 1-pirolidinkarboksilik, 2-[[bis(4-metoksifenil)fenilmetoksi]metil]-4-idroksi-, 9H-fluoren-9-ilmetil estè, (2S-trans)- (ZCI); 9H-Fluoren-9-ilmetil (2S,4R)-2-[[bis(4-metoksifenil)fenilmetoksi]metil]-4-idroksi-1-pirolidinkarboksilit (ACI)
| Pwopriyete ki disponib |
| Byolojik |
| Chimik |
| Dansite |
| Lipinski |
| Estrikti ki gen rapò |
| Tèmik |
Byolojik
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 1.00 x 106 | pH 1; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.00 x 106 | pH 2; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.00 x 106 | pH 3; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.00 x 106 | pH 4; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.00 x 106 | pH 5; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.00 x 106 | pH 6; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.00 x 106 | pH 7; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.00 x 106 | pH 8; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.00 x 106 | pH 9; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.00 x 106 | pH 10; Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Chimik
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 7.70 x 105 | pH 1; Tanperati: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 2; Tanperati: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 3; Tanperati: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 4; Tanperati: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 5; Tanperati: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 6; Tanperati: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 7; Tanperati: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 8; Tanperati: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 9; Tanperati: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 10; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| logD | 8.29 | pH 1; Tanperati: 25 °C | (1) ACD |
| logD | 8.29 | pH 2; Tanperati: 25 °C | (1) ACD |
| logD | 8.29 | pH 3; Tanperati: 25 °C | (1) ACD |
| logD | 8.29 | pH 4; Tanperati: 25 °C | (1) ACD |
| logD | 8.29 | pH 5; Tanperati: 25 °C | (1) ACD |
| logD | 8.29 | pH 6; Tanperati: 25 °C | (1) ACD |
| logD | 8.29 | pH 7; Tanperati: 25 °C | (1) ACD |
| logD | 8.29 | pH 8; Tanperati: 25 °C | (1) ACD |
| logD | 8.29 | pH 9; Tanperati: 25 °C | (1) ACD |
| logD | 8.29 | pH 10; Tanperati: 25 °C | (1) ACD |
| logP | 8.289±0.729 | Tanperati: 25 °C | (1) ACD |
| Soliblite intrinsèque nan mas | 4.7 x 10-6 g/L | Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 4.7 x 10-6 g/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 4.7 x 10-6 g/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 4.7 x 10-6 g/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 4.7 x 10-6 g/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 4.7 x 10-6 g/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 4.7 x 10-6 g/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 4.7 x 10-6 g/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 4.7 x 10-6 g/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 4.7 x 10-6 g/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 4.7 x 10-6 g/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 4.7 x 10-6 g/L | Dlo san tampon pH 7.00; Tanperati: 25 °C | (1) ACD |
| Soliblite intrinsèque molè | 7.3 x 10-9 mol/L | Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 7.3 x 10-9 mol/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 7.3 x 10-9 mol/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 7.3 x 10-9 mol/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 7.3 x 10-9 mol/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 7.3 x 10-9 mol/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 7.3 x 10-9 mol/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 7.3 x 10-9 mol/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 7.3 x 10-9 mol/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Soliblite Molè | 7.3 x 10-9 mol/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 7.3 x 10-9 mol/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 7.3 x 10-9 mol/L | Dlo san tampon pH 7.00; Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 641.75 | ||
| pKa | 14.50±0.40 | Tanperati ki pi asid: 25 °C | (1) ACD |
| pKa | -3.24±0.60 | Tanperati debaz ki pi wo a: 25 °C | (1) ACD |
| Presyon vapè | 7.42 x 10-25 Torr | Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dansite
| Pwopriyete | Valè | Kondisyon | Sous |
| Dansite | 1.237±0.06 g/cm3 | Tanperati: 20 °C; Près: 760 Torr | (1) ACD |
| Volim Molè | 518.4±3.0 cm3/mol | Tanperati: 20 °C; Près: 760 Torr | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Pwopriyete | Valè | Kondisyon | Sous |
| Obligasyon ki ka vire lib | 12 | (1) ACD | |
| Akseptè H | 7 | (1) ACD | |
| Donatè H | 1 | (1) ACD | |
| Sòm Donè/Akseptè H | 8 | (1) ACD | |
| logP | 8.289±0.729 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 641.75 |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Estrikti ki gen rapò
| Pwopriyete | Valè | Kondisyon | Sous |
| Sifas polè | 77.5 A2 | (1) ACD | |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Tèmik
| Pwopriyete | Valè | Kondisyon | Sous |
| Pwen ebulisyon | 768.7±60.0 °C | Près: 760 Torr | (1) ACD |
| Antalpi Vaporizasyon | 117.42±3.0 kJ/mol | Près: 760 Torr | (1) ACD |
| Pwen Eklatman | 418.7±32.9 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Espèk disponib
1H RMN
13C RMN
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